Synthesis of bis[N,O-{2′-pyridyl-methanolate}]dioxomolybdenum(VI) epoxidation catalyst and novel crystal structure derived from X-ray diffraction and DFT calculations

Mononuclear metal complexes with Piroxicam: Synthesis, structure and biological activity

“…For all the metal ions, we used a default parameter set with R* = 2.20 Å and e* = 0.02 kcal mol À1 , since their van der Waals interactions are not expected to play a major role in their octahedral coordination sphere. Metal-ligand bond lengths were corrected in the final models using harmonic restraints with equilibrium values that were extracted from crystallographic data of similar compounds [85][86][87][88][89][90][91][92][93][94][95][96][97][98][99][100][101][102][103][104] (Tables S1, S3, S5). Non-bonded interactions were calculated in vacuo with no cutoff and the electrostatic energy term was treated using bond dipoles.…”

The Versatility of Immobilized Mo Complexes in Organic Transformations - Epoxidation and Metathesis Reactions

“…In many of these studies the biological aspect was mimicked. A number of epoxidation-active MoO 2 complexes coordinated to bidentate and tridentate ligands have been reported as well [26][27][28][29][30][31][32]. A number of epoxidation-active MoO 2 complexes coordinated to bidentate and tridentate ligands have been reported as well [26][27][28][29][30][31][32].…”

“…Owing to their versatility as intermediates, epoxides are of great value in both synthetic organic chemistry and chemical technology [66,67]. In the latter case, oxomolybdenum species have been particularly investigated because of their good catalytic activity for selective oxidation [27,28,[70][71][72]. Recently, soluble compounds of early transition metals such as rhenium [68], titanium [69], vanadium [41], manganese [41] and molybdenum [27,28,[70][71][72] have been used for alkene epoxidation, Scheme 5.…”

Polymorph of {2-[(2-hydroxyethyl)iminiomethyl]phenolato-κO}dioxido{2-[(2-oxidoethyl)iminomethyl]phenolato-κ3O,N,O′}molybdenum(VI)

“…Molybdenum±oxo complexes bearing polydentate ligands are known to be ef®cient epoxidation catalysts (Bruno et al, 2006;Herrmann et al, 2002;Martos-Calvente et al, 2004;Most et al, 2002;Valente et al, 2001;Wong et al, 1998;Zhao et al, 2003;Zhou et al, 2004;Sobczak & Ziolkowski, 2003). Thus, since we are interested in investigating the catalytic activity of Mo VI complexes linked to tridentate ligands, we have synthesized and structurally characterized the title compound, (I), and compare it with the previously published polymorph, (II) (Gøowiak et al, 2003).…”